4-methylsulfinyl-N-propylbutan-2-amine

C8H19NOS — CID 64657042

IUPAC4-methylsulfinyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCS(C)=O
InChIInChI=1S/C8H19NOS/c1-4-6-9-8(2)5-7-11(3)10/h8-9H,4-7H2,1-3H3
InChIKeyYIZARIIBVVFGTD-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.14
Rot. Bonds6

About 4-methylsulfinyl-N-propylbutan-2-amine

4-methylsulfinyl-N-propylbutan-2-amine (PubChem CID 64657042) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 4-methylsulfinyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-methylsulfinyl-N-propylbutan-2-amine
PubChem CID64657042
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name4-methylsulfinyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCS(C)=O
InChIInChI=1S/C8H19NOS/c1-4-6-9-8(2)5-7-11(3)10/h8-9H,4-7H2,1-3H3
InChIKeyYIZARIIBVVFGTD-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butylsulfinyl-N-propylbutan-2-amine
CID 64652778
5-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652980
4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64651165
2-chloro-N-(4-methylsulfinylbutan-2-yl)acetamide
CID 115879988
N-propyl-4-propylsulfinylpentan-2-amine
CID 64705214
4-methylsulfinyl-N-[4-(oxan-4-yl)butyl]butan-2-amine
CID 114191114
4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine
CID 64657617
N-propylnonan-2-amine
CID 43129664
3-(4-methylsulfinylbutan-2-ylamino)butanenitrile
CID 115690740
N-(4-methylsulfinylbutan-2-yl)methanesulfonamide
CID 115669267
4-methylsulfinyl-N-[3-(oxolan-2-yl)propyl]butan-2-amine
CID 104668694
N-[(3,5-difluorophenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115768175

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfinyl-N-propylbutan-2-amine?
The IUPAC name of 4-methylsulfinyl-N-propylbutan-2-amine (CID 64657042) is 4-methylsulfinyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-methylsulfinyl-N-propylbutan-2-amine?
The canonical SMILES for 4-methylsulfinyl-N-propylbutan-2-amine is CCCNC(C)CCS(C)=O.
What is the InChIKey of 4-methylsulfinyl-N-propylbutan-2-amine?
The InChIKey is YIZARIIBVVFGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-4-6-9-8(2)5-7-11(3)10/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-methylsulfinyl-N-propylbutan-2-amine?
4-methylsulfinyl-N-propylbutan-2-amine has a molecular weight of 177.31 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfinyl-N-propylbutan-2-amine is sourced from PubChem (CID 64657042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).